CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CC#N)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1
Name: 21-cyano
SMILES: CC1(C)CN([C@H]2C[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](C(=O)CC#N)[C@@]5(C)CC(=O)[C@@H]43)C[C@@H]2O)CCO1

Molecular Processing

Molecular formula
C28H42N2O4
Molecular weight
470.65
Exact mass
470.3145
XLogP
3.76
TPSA
90.63
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
34
Rings
5
Aromatic rings
0
Saturated rings
5
Aliphatic rings
5
Stereo centers
9
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.893
Molar refractivity
127.63

Supplementary Information

Details werden geladen…

An 2 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→